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Product Code
TRC-I789700
CAS Number
Product Format
Neat
Molecular Formula
C25 H24 O12
Molecular Weight
516.45
API Family
Chlorogenic acidLogin or create an account to view prices and place your order.
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Analyte Name
Isochlorogenic acid
CAS Number
14534-61-3
Molecular Formula
C25 H24 O12
Molecular Weight
516.45
Accurate Mass
516.1268
SMILES
O[C@@H]1C[C@@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1OC(=O)\C=C\c3ccc(O)c(O)c3)C(=O)O
InChI
InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25-/m1/s1
IUPAC
(1R,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
API Family
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